| SpectraBase Compound ID | 5C1PCAjYuJW |
|---|---|
| InChI | InChI=1S/C9H17O4P/c1-5-9(4)8-13-14(10,11-6-2)12-7-3/h1,6-8H2,2-4H3 |
| InChIKey | GYERTFFZTHKQCB-UHFFFAOYSA-N |
| Mol Weight | 220.2 g/mol |
| Molecular Formula | C9H17O4P |
| Exact Mass | 220.086446 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | 5WwbsbvHgGS |
|---|---|
| Name | Phosphoric acid, diethyl 2-methyl-2,3-butadienyl ester |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 220.086446021 u |
| Formula | C9H17O4P |
| InChI | InChI=1S/C9H17O4P/c1-5-9(4)8-13-14(10,11-6-2)12-7-3/h1,6-8H2,2-4H3 |
| InChIKey | GYERTFFZTHKQCB-UHFFFAOYSA-N |
| Molecular Weight | 220.205 g/mol |
| SMILES | C(OP(=O)(OCC)OCC)C(=C=C)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.92253 |